N-[(2-methoxyphenyl)methyl]-4-nitro-3-(1-propan-2-ylpyrazol-4-yl)benzamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-nitro-3-(1-propan-2-ylpyrazol-4-yl)benzamide Openeye Name: 3-(1-isopropylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-4-nitro-benzamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-nitro-3-(1-propan-2-yl-4-pyrazolyl)benzamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-nitro-3-(1-propan-2-ylpyrazol-4-yl)benzamide Traditional Name: 3-(1-isopropylpyrazol-4-yl)-4-nitro-N-o-anisyl-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14(2)24-13-17(12-23-24)18-10-15(8-9-19(18)25(27)28)21(26)22-11-16-6-4-5-7-20(16)29-3/h4-10,12-14H,11H2,1-3H3,(H,22,26)